A.  Maibam, Govindaraja, T., Selvaraj, K., and Krishnamurty, S., ?Dinitrogen activation on graphene anchored single atom catalysts: local site activity or surface phenomena?, Journal of Physical Chemistry C, vol. 123, no. 45, pp. 27492-27500, 2019.

A. Kumar Singh, Maibam, A., Javaregowda, B. H., Bisht, R., Kudlu, A., Krishnamurty, S., Krishnamoorthy, K., and Nithyanandhan, J., ?Unsymmetrical squaraine dyes for dye-sensitized solar cells: position of the anchoring group controls the orientation and self-assembly of sensitizers on the TiO2 surface and modulates its flat band potential?, Journal of Physical Chemistry C, vol. 124, no. 34, pp. 18436-18451, 2020.

K. Chandran Ranjeesh, George, L., Maibam, A., Krishnamurty, S., and Babu, S. Santhosh, ?Durable metalloporphyrin 2D-polymer for photocatalytic hydrogen and oxygen evolution from river and sea waters?, ChemCatChem, vol. 13, no. 7, pp. 1717-1721, 2021.

A.  Maibam, Krishnamurty, S., and Dar, M. Ahmad, ?Electrocatalytic nitrogen reduction directed through the p-band center of boron on BSAC@Mo2C?, Materials Advances, no. 1, 2021.

A.  Maibam, Das, S. Kumar, Samal, P. Paramita, and Krishnamurty, S., ?Enhanced photocatalytic properties of a chemically modified blue phosphorene?, RSC Advances , vol. 11, no. 22, pp. 13348-13358, 2021.

A.  Maibam, Chakraborty, D., Joshi, K., and Krishnamurty, S., ?Exploring edge functionalised blue phosphorene nanoribbons as novel photocatalysts for water splitting?, New Journal of Chemistry, vol. 45, no. 7, pp. 3570-3580, 2021.

K.  Joshi, Maibam, A., and Krishnamurty, S., ?Finite temperature behavior of carbon atom-doped silicon clusters: depressed thermal stabilities, coexisting isomers, reversible dynamical pathways and fragmentation channels?, New Journal of Chemistry, vol. 45, no. 18, pp. 8217-8227, 2021.

A.  Maibam and Krishnamurty, S., ?Nitrogen activation to reduction on a recyclable V-SAC/BN-graphene heterocatalyst sifted through dual and multiphilic descriptors?, Journal of Colloid and Interface Science, vol. 600, pp. 480-491, 2021.

A.  Maibam, BabaRao, R., and Krishnamurty, S. A., ?Doped 2D VX2 (X = S, Se, Te) monolayers as electrocatalysts for ammonia production: a DFT based study?, Applied Surface Science, vol. 602, p. 154401, 2022.

T. Ibomcha Singh, Maibam, A., Cha, D. Chan, Yoo, S., BabaRao, R., Lee, S. Uck, and Lee, S., ?High-alkaline water-splitting activity of mesoporous 3D heterostructures: an amorphous-shell@crystalline-core nano-assembly of Co-Ni-phosphate ultrathin-nanosheets and V- doped cobalt-nitride nanowires?, Advanced Science, vol. 9, no. 23, p. 2201311, 2022.

A. H.  Maneri, Singh, C. Pratap, Kumar, R., Maibam, A., and Krishnamurty, S., ?Mapping the finite-temperature behavior of conformations to their potential energy barriers: case studies on Si6B and Si5B clusters?, ACS Omega, vol. 7, no. 7, pp. 6167-6173, 2022.

A.  Rasool, Anis, I., Dixit, M., Maibam, A., Hassan, A., Krishnamurty, S., and Dar, M. Ahmad, ?Tantalum based single, double, and triple atom catalysts supported on g-C2N monolayer for effective nitrogen reduction reaction: a comparative DFT investigation?, Catalysis Science & Technology, vol. 12, no. 1, pp. 310-319, 2022.

P.  Patil, Maibam, A., Sangale, S. S., Mann, D. Singh, Lee, H. - J., Krishnamurty, S., Kwon, S. - N., and Na, S. - I., ?Chemical bridge-mediated heterojunction electron transport layers enable efficient and stable perovskite solar cells?, ACS Applied Materials and Interfaces, vol. 15, no. 24, pp. 29597-29608, 2023.

A. P.  Jadhav, Singh, A. Kumar, Maibam, A., Krishnamurty, S., Krishnamoorthy, K., and Nithyanandhan, J., ?D-A-D-based unsymmetrical thiosquaraine dye for the dye-sensitized solar cells(dagger)?, Photochemistry and Photobiology, vol. 99, no. 2, pp. 529-537, 2023.

A.  Maibam, Krishnamurty, S., and BabaRao, R., ?Electrocatalytic nitrogen reduction on defective graphene modulated from single atom catalyst to aluminium clusters?, Applied Surface Science, vol. 623, p. 157024, 2023.

A.  Patrike, Karbhal, I., Wasnik, K., Torris, A., Maibam, A., Krishnamurty, S., and , ?High rate, high temperature, dendrite free plating/stripping of Li in 3-dimensional honeycomb boron carbon nitride to realize an ultrastable lithium metal anode?, Journal of Energy Storage, vol. 68, p. 107547, 2023.

A. H. H.  Maneri, Varode, S. Suhas, Maibam, A., Ranjan, P., Krishnamurty, S., and Joshi, K., ?Quantum dot (Aun/Agn, n=3-8) capped single lipids: interactions and physicochemical properties?, Physical Chemistry Chemical Physics, vol. 25, no. 33, pp. 22294-22303, 2023.